- InChI
- InChI=1S/C13H20O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3,8-9H,1,4-7,10-11H2,2H3/b9-8+
- InChI Key
- UPWPLXAPKLFNSX-CMDGGOBGSA-N
- Formula
- C13H20O4
- SMILES
- C=CCCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7265 | Relay (1.0) Calculated Property | |
| ΔfG° | -394.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [1679.00; 1679.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Tboil | 562.93 | K | Relay (1.0) Calculated Property |
| Tc | 719.84 | K | Relay (1.0) Calculated Property |
| Tfus | 238.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.12; 647.14] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.47160e+01 | |||
| Coefficient B | 1.12922e+00 | |||
| Coefficient C | -6.00900e-04 | |||
| Coefficient D | 9.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 290.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 409.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 504.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 542.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 576.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 604.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 628.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 647.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031954; 0.0001464] | Pa×s | [314.09; 556.16] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.28301e+01 | |||
| Coefficient B | 2.22504e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 314.09 | |||
| Temperature range, max. | 556.16 | |||
| η | 0.0031954 | Pa×s | 314.09 | Calculated Property |
| η | 0.0018275 | Pa×s | 340.99 | Calculated Property |
| η | 0.0011341 | Pa×s | 367.88 | Calculated Property |
| η | 0.0007511 | Pa×s | 394.78 | Calculated Property |
| η | 0.0005243 | Pa×s | 421.67 | Calculated Property |
| η | 0.0003821 | Pa×s | 448.57 | Calculated Property |
| η | 0.0002886 | Pa×s | 475.47 | Calculated Property |
| η | 0.0002247 | Pa×s | 502.36 | Calculated Property |
| η | 0.0001794 | Pa×s | 529.26 | Calculated Property |
| η | 0.0001464 | Pa×s | 556.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl pent-4-enyl ester.
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